Cas no 4629-78-1 (3-Methylpiperidin-4-one hydrochloride)

3-Methylpiperidin-4-one hydrochloride is a versatile heterocyclic compound primarily used as a key intermediate in organic synthesis and pharmaceutical research. Its piperidine scaffold is valuable for constructing bioactive molecules, particularly in the development of central nervous system (CNS) agents and other pharmacologically active compounds. The hydrochloride salt form enhances stability and solubility, facilitating handling and reactivity in synthetic applications. This compound’s structural features, including the ketone functionality at the 4-position and methyl substitution at the 3-position, offer opportunities for further derivatization. It is commonly employed in medicinal chemistry for exploring structure-activity relationships (SAR) and optimizing drug candidates. Suitable for controlled laboratory use under standard safety protocols.
3-Methylpiperidin-4-one hydrochloride structure
4629-78-1 structure
Product Name:3-Methylpiperidin-4-one hydrochloride
CAS No:4629-78-1
MF:C6H12ClNO
MW:149.618580818176
MDL:MFCD07369967
CID:45212
PubChem ID:22728864
Update Time:2025-06-08

3-Methylpiperidin-4-one hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Methylpiperidin-4-one hydrochloride
    • 3-Methyl-piperidin-4-one hydrochloride
    • 4-Piperidinone,3-methyl-, hydrochloride (9CI)
    • 4-Piperidone, 3-methyl-, hydrochloride(6CI,7CI,8CI)
    • GCQBLKABRBKHLY-UHFFFAOYSA-N
    • 4-PIPERIDINONE, 3-METHYL-, HYDROCHLORIDE
    • 3-methyl-4-piperidone HCl
    • 3-Methylpiperidin-4-one, HCl
    • AS-38023
    • A831574
    • PB23474
    • DTXSID50627867
    • MFCD07369967
    • 3-methylpiperidin-4-onehydrochloride
    • F1907-2303
    • AC-29528
    • 3-Methylpiperidin-4-one--hydrogen chloride (1/1)
    • SCHEMBL2379418
    • 3-methylpiperidin-4-one;hydrochloride
    • racemic 3-methyl-piperidin-4-one hydrochloride
    • Z1741969235
    • AKOS007930654
    • 4629-78-1
    • 3-METHYL-PIPERIDIN-4-ONE HCL
    • AMY34879
    • EN300-141489
    • SY034727
    • FT-0764282
    • CS-D0046
    • 3-methyl-4-piperidone hydrochloride
    • 3-Methylpiperidin-4-one HCl
    • DB-008324
    • MDL: MFCD07369967
    • Inchi: 1S/C6H11NO.ClH/c1-5-4-7-3-2-6(5)8;/h5,7H,2-4H2,1H3;1H
    • InChI Key: GCQBLKABRBKHLY-UHFFFAOYSA-N
    • SMILES: Cl.O=C1CCNCC1C

Computed Properties

  • Exact Mass: 149.06100
  • Monoisotopic Mass: 149.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 101
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 29.1A^2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Boiling Point: 224.6 °C at 760 mmHg
  • Flash Point: 89.7 °C
  • PSA: 29.10000
  • LogP: 1.31570

3-Methylpiperidin-4-one hydrochloride Security Information

3-Methylpiperidin-4-one hydrochloride Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Methylpiperidin-4-one hydrochloride Pricemore >>

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Additional information on 3-Methylpiperidin-4-one hydrochloride

Comprehensive Overview of 3-Methylpiperidin-4-one hydrochloride (CAS No. 4629-78-1): Properties, Applications, and Industry Insights

3-Methylpiperidin-4-one hydrochloride (CAS No. 4629-78-1) is a specialized organic compound widely recognized for its versatile applications in pharmaceutical and chemical research. This compound, featuring a piperidine backbone with a methyl group at the 3-position and a ketone at the 4-position, is often utilized as a key intermediate in the synthesis of bioactive molecules. Its hydrochloride salt form enhances stability and solubility, making it particularly valuable in laboratory settings.

The growing interest in 3-Methylpiperidin-4-one hydrochloride is driven by its role in drug discovery, particularly in the development of central nervous system (CNS) therapeutics. Researchers frequently search for "CAS 4629-78-1 supplier" or "3-Methylpiperidin-4-one hydrochloride synthesis," reflecting the demand for high-purity reagents in academic and industrial labs. The compound’s structural features align with trends in fragment-based drug design and scaffold hopping, techniques gaining traction in modern medicinal chemistry.

From a physicochemical perspective, 3-Methylpiperidin-4-one hydrochloride exhibits a molecular weight of 163.64 g/mol and typically appears as a white to off-white crystalline powder. Its solubility profile—readily soluble in water and polar organic solvents—makes it adaptable to various reaction conditions. Analytical techniques like HPLC, NMR, and mass spectrometry are commonly employed to verify its purity, a critical factor for researchers seeking "high-purity 4629-78-1" for sensitive applications.

In the context of sustainability, the compound’s synthesis pathways are being optimized to reduce environmental impact. Queries such as "green synthesis of 3-Methylpiperidin-4-one derivatives" highlight the industry’s shift toward eco-friendly methodologies. Catalytic approaches and solvent-free reactions are among the innovations being explored to align with green chemistry principles while maintaining yield efficiency.

Beyond pharmaceuticals, 3-Methylpiperidin-4-one hydrochloride finds niche applications in material science, particularly in the development of functionalized polymers and ligand systems for catalysis. Its ability to act as a building block for complex architectures makes it relevant in supramolecular chemistry research. Recent publications have also investigated its potential in bioimaging probes, leveraging its structural compatibility with fluorescent tags.

Quality control remains a priority for users of CAS No. 4629-78-1, with stringent protocols ensuring batch-to-batch consistency. Certificates of Analysis (CoA) detailing parameters like residual solvents, heavy metal content, and chromatographic purity are essential for compliance with regulatory standards such as ICH guidelines. This attention to quality addresses frequent search queries like "3-Methylpiperidin-4-one hydrochloride specifications" or "analytical methods for 4629-78-1."

The future outlook for 3-Methylpiperidin-4-one hydrochloride is closely tied to advancements in precision medicine and computational chemistry. Virtual screening tools now enable researchers to predict the compound’s interactions with biological targets, accelerating hit identification. As the demand for tailored heterocyclic compounds grows, this molecule’s modularity positions it as a staple in innovation-driven sectors.

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